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CAS No.: | 500890-58-4 |
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Name: | 1-(2-NITRO-PHENYL)-IMIDAZOLIDIN-2-ONE |
Molecular Structure: | |
Formula: | C9H9N3O3 |
Molecular Weight: | 207.19 |
Synonyms: | 1-(2-Nitrophenyl)-2-imidazolidinone; |
Density: | 1.396 g/cm3 |
Hazard Symbols: | Xi |
PSA: | 78.16000 |
LogP: | 2.04140 |
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The 2-Imidazolidinone,1-(2-nitrophenyl)-, with the CAS registry number of 500890-58-4, is also known as 1-(2-Nitrophenyl)-2-imidazolidinone. Its molecular formula is C9H9N3O3 and molecular weight is 207.19. What's more, its IUPAC name is 1-(2-Nitrophenyl)imidazolidin-2-one.
Physical properties about the 2-Imidazolidinone,1-(2-nitrophenyl)- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 69.37 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 51.86 cm3; (9)Molar Volume: 148.3 cm3; (10)Surface Tension: 59 dyne/cm; (11)Density: 1.396 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1N2C(=O)NCC2
(2) InChI: InChI=1/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13)
(3) InChIKey: YBRKPAGSKIHGOY-UHFFFAOYAB